General Information of the Compound
| Compound ID |
CP0963484
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| Compound Name |
(4R)-5-methyl-2-phenyl-4-[C-(2-phenylethyl)-N-propylcarbonimidoyl]-4H-pyrazol-3-one
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| Formula |
C22H25N3O
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| Molecular Weight |
347.462
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| Canonical SMILES |
CCC/N=C(/CCc1ccccc1)[C@H]1C(=O)N(c2ccccc2)N=C1C
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| InChI |
InChI=1S/C22H25N3O/c1-3-16-23-20(15-14-18-10-6-4-7-11-18)21-17(2)24-25(22(21)26)19-12-8-5-9-13-19/h4-13,21H,3,14-16H2,1-2H3/b23-20-/t21-/m0/s1
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| InChIKey |
VVOSVUFWABRBJJ-HWNIBJRTSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound